N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide Formula: C27H41N3O2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H41N3O2/c28-23-13-17-25(18-14-23)30(27(32)22-9-5-2-6-10-22)19-20-11-15-24(16-12-20)29-26(31)21-7-3-1-4-8-21/h11-12,15-16,21-23,25H,1-10,13-14,17-19,28H2,(H,29,31)